5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine

C12H16N2S — CID 82549501

IUPAC5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2cc(C)cc(C)c2s1
InChIInChI=1S/C12H16N2S/c1-4-5-13-12-14-10-7-8(2)6-9(3)11(10)15-12/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyXEGYBYMAHVGGKD-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.74
Rot. Bonds3

About 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine

5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82549501) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82549501
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2cc(C)cc(C)c2s1
InChIInChI=1S/C12H16N2S/c1-4-5-13-12-14-10-7-8(2)6-9(3)11(10)15-12/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyXEGYBYMAHVGGKD-UHFFFAOYSA-N
XLogP3.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]acetonitrile
CID 134194948
1-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082538
N-[(Z)-butan-2-ylideneamino]-5,7-dimethyl-1,3-benzothiazol-2-amine
CID 50880235
N-cyclopentyl-5,7-dimethyl-1,3-benzothiazol-2-amine
CID 82549497
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479443
5-tert-butyl-4-methoxy-7-methyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548547
N-propyl-5-[(2,4,6-trimethylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774785
N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548511
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)acetamide
CID 8719990
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine (CID 82549501) is 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2cc(C)cc(C)c2s1.
What is the InChIKey of 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is XEGYBYMAHVGGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-4-5-13-12-14-10-7-8(2)6-9(3)11(10)15-12/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine?
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).